Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate.

ABSTRACT: The title compound, C(24)H(34)O(4), is a precursor of Megestrol acetate. Ring A has a half-chair conformation [Q = 0.446 (3) Å, θ = 54.6 (4)° and ϕ = 9.5 (4)°]. Ring D adopts a 13β-envelope conformation [Q = 0.463 (2) Å and ϕ = 188.2 (3)°].

SUBMITTER: Chen L

PROVIDER: S-EPMC3343965 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

6β-Acetamido-5α-hydroxy-cholestan-3β-yl acetate.

Project description:The title steroid, C(31)H(53)NO(4), was prepared from the corresponding 5α,6α-epoxy-cholestane. The conformation of the six-membered rings is close to a chair form, while the five-membered ring adopts a twist conformation. The hydroxyl and acetamide groups are in axial positions. The nucleophilic species bound to the steroid nucleus at position 6 by the β-face, whereas the hydroxyl group at position 5 has α-orientation. All rings are trans-fused. The crystal packing shows that the mol-ecules related by twofold symmetry exist as O-H⋯O hydrogen-bonded dimers.

| S-EPMC2959794 | biostudies-literature

6β-Chloro-5α-hydr-oxy-20-oxopregnan-3β-yl acetate.

Project description:The title steroid, C(23)H(35)ClO(4), is a pregnane derivative prepared by ring opening of the corresponding 5α,6α-ep-oxy steroid with BiCl(3). There are two symmetry-independent mol-ecules in the asymmetric unit that show no significant differences concerning bond lengths and angles. The conformation of the six-membered rings in both mol-ecules is close to a chair form, while the five-membered ring adopts an envelope conformation. All rings in both mol-ecules are trans-fused. The mol-ecules are held together by an extensive O-H⋯O hydrogen-bonding network.

| S-EPMC2962054 | biostudies-literature

5α-Androst-3-en-17β-yl acetate.

Project description:In the crystal structure of the title compound, C(21)H(32)O(2), ring A is highly distorted, with a conformation inter-mediate between 10β-sofa and 1α,10β-half chair; rings B and C have slightly flattened chair conformations. Ring D assumes an unusual 13β-envelope conformation, probably induced by the acet-oxy substituent. Cohesion of the crystal structure is due only to weak van der Waals inter-actions.

| S-EPMC2979999 | biostudies-literature

21-(3-Carboxy-propano-yl)-11?,17-dihydroxy-pregn-4-ene-3,20-dione monohydrate.

Project description:In the title compound, C(25)H(34)O(8)·H(2)O, the two crylohexane rings adopt chair conformations. In the crystal, the organic mol-ecule and the water mol-ecule are linked by O-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC2979527 | biostudies-literature

17?-Acet-oxy-11?-hy-droxy-6?-methyl-pregn-4-ene-3,20-dione.

Project description:The title compound, C(24)H(34)O(5), a fungal-transformed metabolite of the injecta-ble contraceptive medroxyprogesterone acetate, consists of four fused rings (A, B, C and D; steroid labelling). Ring A exists in a half-chair conformation while trans-fused rings B and C adopt chair conformations. The five-membered ring D adopts an envelope conformation with the C atom bound to the methyl group at the flap. In the crystal, adjacent mol-ecules are linked by O-H?O and C-H?O hydrogen bonds, forming infinite chains along the a axis.

| S-EPMC3393278 | biostudies-other

11β,17,21-Trihydr-oxy-6α-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-carboxy-propionate.

Project description:The mol-ecule of the title compound, C(26)H(34)O(8), a prednisolone derivative, contains three six-membered rings (A, B and C) and one five-membered ring (D). Ring A is planar and rings B and C adopt chair conformations, while ring D adopts an envelope conformation with the C atom bonded to the methyl group at the flap. The crystal structure is stabilized by intermolecular O-H⋯O hydrogen bonds.

| S-EPMC2977682 | biostudies-literature

(R)-[(R)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methyl-sulfon-yl)phen-yl]methyl acetate.

Project description:The structure of the title compound, C20H21NO6S, is of inter-est with respect to its anti-bacterial properties. The oxazolidine ring makes dihedral angles of 79.63?(14) and 56.16?(12)° with the phenyl and benzene rings, respectively, while the phenyl and benzene rings make a dihedral angle of 64.37?(13)°. In the crystal, non-classical C-H?O hydrogen bonds link adjacent mol-ecules along the c axis.

| S-EPMC4011233 | biostudies-literature

Methyl 2-(5-methyl-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

Project description:The title compound, C(13)H(14)O(4)S, was prepared by oxidation of methyl 2-(5-methyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The O atom and methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran system. The crystal structure is stabilized by inter-molecular aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules, with a centroid-centroid separation of 3.841?(3)?Å.

| S-EPMC2960547 | biostudies-literature

Methyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate.

Project description:In the crystal of the title compound, C7H9N3O4, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains along the a-axis direction. The dihedral angle between the ring and the nitro group is 3.03 (6), while that between the ring and the acetate group is 85.01 (3)°.

| S-EPMC3684924 | biostudies-literature

Methyl (2'-hydroxy-biphenyl-2-yl-oxy)acetate.

Project description:The three independent mol-ecules of the title compound, C(15)H(14)O(4), have similar orientations of their aromatic rings, the dihedral angles between the rings being 57.0?(1), 58.1?(1) and 58.2?(1)°. In each mol-ecule, the hydr-oxy group forms an intra-molecular hydrogen bond to the carbonyl O atom, forming an S(10) ring motif.

| S-EPMC2968795 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data